1-methyl-4-[4-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]piperazin-4-ium-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H31N5O4S/c1-25-17-19(16-20(25)22(24)29)33(31,32)28-14-12-26(13-15-28)21(18-8-4-2-5-9-18)23(30)27-10-6-3-7-11-27/h2,4-5,8-9,16-17,21H,3,6-7,10-15H2,1H3,(H2,24,29)/p+1/t21-/m0/s1